Ethyl 2-(4'-carboxybenzamido)-4-aminobenzoate
Basic information
- CAS
73626-07-0- Standard SMILES
CCOC(=O)c1ccc(N)cc1NC(=O)c1ccc(C(=O)O)cc1- InChIKey
WFZMGMGJYJSKFW-UHFFFAOYSA-N- Molecular formula
- C17H16N2O5
- Average molar mass
- 328.32 g/mol
- Monoisotopic mass
- 328.10592162
Overview
structure given in first source; metabolite of AM 682
Names & identifiers
- Preferred name
- Ethyl 2-(4'-carboxybenzamido)-4-aminobenzoate
- IUPAC
- 4-[(5-amino-2-ethoxycarbonylphenyl)carbamoyl]benzoic acid
- English name
- ethyl 2-(4'-carboxybenzamido)-4-aminobenzoate
- Molecular formula
- C17H16N2O5
- Molecular weight
- 328.31934
Names & synonyms
Acaeba73626-07-0Ethyl 2-(4'-carboxybenzamido)-4-aminobenzoateDTXSID70223845RefChem:138544DTXCID001463364-{[5-amino-2-(ethoxycarbonyl)phenyl]carbamoyl}benzoic acidSCHEMBL3363086WFZMGMGJYJSKFW-UHFFFAOYSA-Nethyl 2-(4-carboxybenzamido)-4-aminobenzoate
Database identifiers
- CAS
73626-07-0- PubChem CID
- 189795
- DTXSID
DTXSID70223845- Nikkaji
- J282.827H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
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Related reactions
2 records
Compound notes
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